2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-phenylacetohydrazide

C31H26N4O2 — CID 3975387

About 2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-phenylacetohydrazide

2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-phenylacetohydrazide (PubChem CID 3975387) has the molecular formula C31H26N4O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-phenylacetohydrazide.

Molecular Properties

• Compound Name: 2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-phenylacetohydrazide
• PubChem CID: 3975387
• Molecular Formula: C31H26N4O2
• Molecular Weight: 486.58 g/mol
• Exact Mass: 486.21
• IUPAC Name: 2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-phenylacetohydrazide
• SMILES: Cc1ccc(-c2[nH]c3ccccc3c2C2c3ccccc3C(=O)N2CC(=O)NNc2ccccc2)cc1
• InChI: InChI=1S/C31H26N4O2/c1-20-15-17-21(18-16-20)29-28(25-13-7-8-14-26(25)32-29)30-23-11-5-6-12-24(23)31(37)35(30)19-27(36)34-33-22-9-3-2-4-10-22/h2-18,30,32-33H,19H2,1H3,(H,34,36)
• InChIKey: JQSQEBMRHPCPBZ-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 77.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.58
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-phenylacetohydrazide?

The IUPAC name of 2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-phenylacetohydrazide (CID 3975387) is 2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-phenylacetohydrazide.

What is the SMILES notation for 2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-phenylacetohydrazide?

The canonical SMILES for 2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-phenylacetohydrazide is Cc1ccc(-c2[nH]c3ccccc3c2C2c3ccccc3C(=O)N2CC(=O)NNc2ccccc2)cc1.

What is the InChIKey of 2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-phenylacetohydrazide?

The InChIKey is JQSQEBMRHPCPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O2/c1-20-15-17-21(18-16-20)29-28(25-13-7-8-14-26(25)32-29)30-23-11-5-6-12-24(23)31(37)35(30)19-27(36)34-33-22-9-3-2-4-10-22/h2-18,30,32-33H,19H2,1H3,(H,34,36).

What are the key properties of 2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-phenylacetohydrazide?

2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-phenylacetohydrazide has a molecular weight of 486.58 g/mol, XLogP of 5.83, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(4-methylphenyl)-1H-indol-3-yl]-3-oxo-1H-isoindol-2-yl]-N'-phenylacetohydrazide is sourced from PubChem (CID 3975387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).